(2R)-2-[[(3-phenylphenyl)carbonyl-propyl-carbamoyl]amino]-3-(2-pyridin-4-ylethylsulfanyl)propanoic acid

Systemtic Name: (2R)-2-[[(3-phenylphenyl)carbonyl-propyl-carbamoyl]amino]-3-(2-pyridin-4-ylethylsulfanyl)propanoic acid Openeye Name: (2R)-2-[[(3-phenylbenzoyl)-propyl-carbamoyl]amino]-3-[2-(4-pyridyl)ethylsulfanyl]propanoic acid CAS Name: (2R)-2-[[oxo-[[oxo-(3-phenylphenyl)methyl]-propylamino]methyl]amino]-3-(2-pyridin-4-ylethylthio)propanoic acid IUPAC Name: (2R)-2-[[(3-phenylbenzoyl)-propylcarbamoyl]amino]-3-(2-pyridin-4-ylethylsulfanyl)propanoic acid Traditional Name: (2R)-2-[[(3-phenylbenzoyl)-propyl-carbamoyl]amino]-3-[2-(4-pyridyl)ethylthio]propionic acid Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)C1=CC=CC(=C1)C2=CC=CC=C2)C(=O)NC(CSCCC3=CC=NC=C3)C(=O)O

Isomeric SMILES

CCCN(C(=O)C1=CC=CC(=C1)C2=CC=CC=C2)C(=O)N[C@@H](CSCCC3=CC=NC=C3)C(=O)O

InChI

InChI=1S/C27H29N3O4S/c1-2-16-30(25(31)23-10-6-9-22(18-23)21-7-4-3-5-8-21)27(34)29-24(26(32)33)19-35-17-13-20-11-14-28-15-12-20/h3-12,14-15,18,24H,2,13,16-17,19H2,1H3,(H,29,34)(H,32,33)/t24-/m0/s1